8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C18H28N4 — CID 97449515

IUPAC8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCN(CC4CCCC4)CC3)C2)nc1
InChIInChI=1S/C18H28N4/c1-2-5-16(4-1)14-21-11-6-18(7-12-21)8-13-22(15-18)17-19-9-3-10-20-17/h3,9-10,16H,1-2,4-8,11-15H2
InChIKeyYAMDDQFLDURZIP-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.96
Rot. Bonds3

About 8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 97449515) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID97449515
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCN(CC4CCCC4)CC3)C2)nc1
InChIInChI=1S/C18H28N4/c1-2-5-16(4-1)14-21-11-6-18(7-12-21)8-13-22(15-18)17-19-9-3-10-20-17/h3,9-10,16H,1-2,4-8,11-15H2
InChIKeyYAMDDQFLDURZIP-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 97449515) is 8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is c1cnc(N2CCC3(CCN(CC4CCCC4)CC3)C2)nc1.
What is the InChIKey of 8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is YAMDDQFLDURZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-2-5-16(4-1)14-21-11-6-18(7-12-21)8-13-22(15-18)17-19-9-3-10-20-17/h3,9-10,16H,1-2,4-8,11-15H2.
What are the key properties of 8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 300.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97449515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).